(Z)-but-2-ene;3-[2-(4-dibenzofuran-4-ylphenyl)-3-[3-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline

C88H68N2O — CID 144565279

About (Z)-but-2-ene;3-[2-(4-dibenzofuran-4-ylphenyl)-3-[3-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline

(Z)-but-2-ene;3-[2-(4-dibenzofuran-4-ylphenyl)-3-[3-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline (PubChem CID 144565279) has the molecular formula C88H68N2O and a molecular weight of 1169.53 g/mol. Its IUPAC name is (Z)-but-2-ene;3-[2-(4-dibenzofuran-4-ylphenyl)-3-[3-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: (Z)-but-2-ene;3-[2-(4-dibenzofuran-4-ylphenyl)-3-[3-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline
• PubChem CID: 144565279
• Molecular Formula: C88H68N2O
• Molecular Weight: 1169.53 g/mol
• Exact Mass: 1168.53
• IUPAC Name: (Z)-but-2-ene;3-[2-(4-dibenzofuran-4-ylphenyl)-3-[3-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline
• SMILES: C/C=C\C.C=C/C=C(\C=C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3cccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c4)c3-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c2)cc1
• InChI: InChI=1S/C84H60N2O.C4H8/c1-3-20-59(4-2)63-41-49-71(50-42-63)85(72-51-43-64(44-52-72)60-21-8-5-9-22-60)75-29-16-27-69(57-75)77-32-18-33-78(83(77)68-39-37-67(38-40-68)79-34-19-35-81-80-31-14-15-36-82(80)87-84(79)81)70-28-17-30-76(58-70)86(73-53-45-65(46-54-73)61-23-10-6-11-24-61)74-55-47-66(48-56-74)62-25-12-7-13-26-62;1-3-4-2/h3-58H,1-2H2;3-4H,1-2H3/b59-20+;4-3-
• InChIKey: MRZOCIRAWFCHFS-PKPHCFMCSA-N
• XLogP: 25.53
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1169.53
LogP ≤ 5	25.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;3-[2-(4-dibenzofuran-4-ylphenyl)-3-[3-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline?

The IUPAC name of (Z)-but-2-ene;3-[2-(4-dibenzofuran-4-ylphenyl)-3-[3-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline (CID 144565279) is (Z)-but-2-ene;3-[2-(4-dibenzofuran-4-ylphenyl)-3-[3-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline.

What is the SMILES notation for (Z)-but-2-ene;3-[2-(4-dibenzofuran-4-ylphenyl)-3-[3-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline?

The canonical SMILES for (Z)-but-2-ene;3-[2-(4-dibenzofuran-4-ylphenyl)-3-[3-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline is C/C=C\C.C=C/C=C(\C=C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3cccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c4)c3-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c2)cc1.

What is the InChIKey of (Z)-but-2-ene;3-[2-(4-dibenzofuran-4-ylphenyl)-3-[3-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline?

The InChIKey is MRZOCIRAWFCHFS-PKPHCFMCSA-N. The full InChI is InChI=1S/C84H60N2O.C4H8/c1-3-20-59(4-2)63-41-49-71(50-42-63)85(72-51-43-64(44-52-72)60-21-8-5-9-22-60)75-29-16-27-69(57-75)77-32-18-33-78(83(77)68-39-37-67(38-40-68)79-34-19-35-81-80-31-14-15-36-82(80)87-84(79)81)70-28-17-30-76(58-70)86(73-53-45-65(46-54-73)61-23-10-6-11-24-61)74-55-47-66(48-56-74)62-25-12-7-13-26-62;1-3-4-2/h3-58H,1-2H2;3-4H,1-2H3/b59-20+;4-3-.

What are the key properties of (Z)-but-2-ene;3-[2-(4-dibenzofuran-4-ylphenyl)-3-[3-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline?

(Z)-but-2-ene;3-[2-(4-dibenzofuran-4-ylphenyl)-3-[3-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 1169.53 g/mol, XLogP of 25.53, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-but-2-ene;3-[2-(4-dibenzofuran-4-ylphenyl)-3-[3-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 144565279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).